ChemSpider 2D Image | PD-217,014 | C10H17NO2

PD-217,014

  • Molecular FormulaC10H17NO2
  • Average mass183.247 Da
  • Monoisotopic mass183.125931 Da
  • ChemSpider ID19264101
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(1R,3r,5S)-3-(Aminomethyl)bicyclo[3.2.0]hept-3-yl]acetic acid [ACD/IUPAC Name]
[(1R,3r,5S)-3-(Aminomethyl)bicyclo[3.2.0]hept-3-yl]essigsäure [German] [ACD/IUPAC Name]
Acide [(1R,3r,5S)-3-(aminométhyl)bicyclo[3.2.0]hept-3-yl]acétique [French] [ACD/IUPAC Name]
Bicyclo[3.2.0]heptane-3-acetic acid, 3-(aminomethyl)-, (1R,5S)- [ACD/Index Name]
PD-217,014 [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 334.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 63.5±6.0 kJ/mol
Flash Point: 156.3±20.4 °C
Index of Refraction: 1.527
Molar Refractivity: 49.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 160.6±3.0 cm3

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